1-azido-2-methyloctan-2-ol

C9H19N3O — CID 11063108

IUPAC1-azido-2-methyloctan-2-ol
SMILESCCCCCCC(C)(O)CN=[N+]=[N-]
InChIInChI=1S/C9H19N3O/c1-3-4-5-6-7-9(2,13)8-11-12-10/h13H,3-8H2,1-2H3
InChIKeyYXSBTQOBEOUCHT-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.02
Rot. Bonds7

About 1-azido-2-methyloctan-2-ol

1-azido-2-methyloctan-2-ol (PubChem CID 11063108) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-azido-2-methyloctan-2-ol.

Molecular Properties

Compound Name1-azido-2-methyloctan-2-ol
PubChem CID11063108
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-azido-2-methyloctan-2-ol
SMILESCCCCCCC(C)(O)CN=[N+]=[N-]
InChIInChI=1S/C9H19N3O/c1-3-4-5-6-7-9(2,13)8-11-12-10/h13H,3-8H2,1-2H3
InChIKeyYXSBTQOBEOUCHT-UHFFFAOYSA-N
XLogP3.02
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-Amino-2-methyloctan-2-ol
CID 11073711
(2R)-1-azido-2-cyclohexylpropan-2-ol
CID 131169123
1-(Azidomethyl)cycloheptan-1-ol
CID 12576349
2-[(Tert-butyldiazenyl)methyl]-1,1,1-trifluorononan-2-ol
CID 162538984
1-Cyclododecyl-1-(2-methylpropyldiazenyl)ethanol
CID 20356774
1-Amino-2-methylnonan-2-ol
CID 21316513
1-Amino-2-methyldecan-2-ol
CID 66036973
1-Amino-2-methyldodecan-2-ol
CID 66039832
1-Azido-2-cyclohexylpropan-2-ol
CID 123621305
1-Azido-2-methylheptan-2-ol
CID 10607281
(2R)-1-azido-2-methylheptan-2-ol
CID 10920967
(2S)-1-azido-2-cyclohexylpropan-2-ol
CID 15446679

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-methyloctan-2-ol?
The IUPAC name of 1-azido-2-methyloctan-2-ol (CID 11063108) is 1-azido-2-methyloctan-2-ol.
What is the SMILES notation for 1-azido-2-methyloctan-2-ol?
The canonical SMILES for 1-azido-2-methyloctan-2-ol is CCCCCCC(C)(O)CN=[N+]=[N-].
What is the InChIKey of 1-azido-2-methyloctan-2-ol?
The InChIKey is YXSBTQOBEOUCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-4-5-6-7-9(2,13)8-11-12-10/h13H,3-8H2,1-2H3.
What are the key properties of 1-azido-2-methyloctan-2-ol?
1-azido-2-methyloctan-2-ol has a molecular weight of 185.27 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-methyloctan-2-ol is sourced from PubChem (CID 11063108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).